5-bromo-2-[(3-methoxyphenyl)methylideneamino]phenol

C14H12BrNO2 — CID 142246969

IUPAC5-bromo-2-[(3-methoxyphenyl)methylideneamino]phenol
SMILESCOc1cccc(/C=N/c2ccc(Br)cc2O)c1
InChIInChI=1S/C14H12BrNO2/c1-18-12-4-2-3-10(7-12)9-16-13-6-5-11(15)8-14(13)17/h2-9,17H,1H3/b16-9+
InChIKeyDUYYWBYRISIJKW-CXUHLZMHSA-N
MW306.16 g/mol
LogP3.91
Rot. Bonds3

About 5-bromo-2-[(3-methoxyphenyl)methylideneamino]phenol

5-bromo-2-[(3-methoxyphenyl)methylideneamino]phenol (PubChem CID 142246969) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is 5-bromo-2-[(3-methoxyphenyl)methylideneamino]phenol.

Molecular Properties

Compound Name5-bromo-2-[(3-methoxyphenyl)methylideneamino]phenol
PubChem CID142246969
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Name5-bromo-2-[(3-methoxyphenyl)methylideneamino]phenol
SMILESCOc1cccc(/C=N/c2ccc(Br)cc2O)c1
InChIInChI=1S/C14H12BrNO2/c1-18-12-4-2-3-10(7-12)9-16-13-6-5-11(15)8-14(13)17/h2-9,17H,1H3/b16-9+
InChIKeyDUYYWBYRISIJKW-CXUHLZMHSA-N
XLogP3.91
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-bromo-2-[(3-methoxyphenyl)methylideneamino]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methoxyphenyl)-N-[2-[(3-methoxyphenyl)methylideneamino]phenyl]methanimine
CID 932000
5-bromo-2-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 5335668
1-[4-[(4-bromo-2-hydroxyphenyl)iminomethyl]phenyl]ethanone
CID 67406412
4-bromo-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 6907430
N-(3,5-dichlorophenyl)-1-(3-methoxyphenyl)methanimine
CID 932077
1-(3-methoxyphenyl)-N-propan-2-ylmethanimine
CID 23423541
N-[(E)-(3-methoxyphenyl)methylideneamino]methanamine
CID 110339403
N-(4-ethylphenyl)-1-(3-methoxyphenyl)methanimine
CID 126208711
3-[(E)-2-(3-methoxyphenyl)ethenyl]phenol
CID 11401879
N-(3-methoxyphenyl)-1-(3-methylphenyl)methanimine
CID 86728778
1,3-bis[(Z)-(3-methoxyphenyl)methylideneamino]urea
CID 5414266
N-(2,4-dibromophenyl)-1-(3-fluorophenyl)methanimine
CID 23329288

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(3-methoxyphenyl)methylideneamino]phenol?
The IUPAC name of 5-bromo-2-[(3-methoxyphenyl)methylideneamino]phenol (CID 142246969) is 5-bromo-2-[(3-methoxyphenyl)methylideneamino]phenol.
What is the SMILES notation for 5-bromo-2-[(3-methoxyphenyl)methylideneamino]phenol?
The canonical SMILES for 5-bromo-2-[(3-methoxyphenyl)methylideneamino]phenol is COc1cccc(/C=N/c2ccc(Br)cc2O)c1.
What is the InChIKey of 5-bromo-2-[(3-methoxyphenyl)methylideneamino]phenol?
The InChIKey is DUYYWBYRISIJKW-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H12BrNO2/c1-18-12-4-2-3-10(7-12)9-16-13-6-5-11(15)8-14(13)17/h2-9,17H,1H3/b16-9+.
What are the key properties of 5-bromo-2-[(3-methoxyphenyl)methylideneamino]phenol?
5-bromo-2-[(3-methoxyphenyl)methylideneamino]phenol has a molecular weight of 306.16 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(3-methoxyphenyl)methylideneamino]phenol is sourced from PubChem (CID 142246969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).